7-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-sulfonic acid

Systemtic Name: 7-azanyl-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethoxy]naphthalene-2-sulfonic acid Openeye Name: 7-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxo-ethoxy]naphthalene-2-sulfonic acid CAS Name: 7-amino-4-[2-[4-[(4-chlorophenyl)methyl]-1-piperazinyl]-2-oxoethoxy]-2-naphthalenesulfonic acid IUPAC Name: 7-amino-4-[2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-oxoethoxy]naphthalene-2-sulfonic acid Traditional Name: 7-amino-4-[2-[4-(4-chlorobenzyl)piperazino]-2-keto-ethoxy]naphthalene-2-sulfonic acid Formula: C23H24ClN3O5S MolecularWeight: 489.97176

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Cl)C(=O)COC3=C4C=CC(=CC4=CC(=C3)S(=O)(=O)O)N

InChI

InChI=1S/C23H24ClN3O5S/c24-18-3-1-16(2-4-18)14-26-7-9-27(10-8-26)23(28)15-32-22-13-20(33(29,30)31)12-17-11-19(25)5-6-21(17)22/h1-6,11-13H,7-10,14-15,25H2,(H,29,30,31)